pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.1	Datawarrior	0	-1	CC(=O)c1cccc(NC(N)=S)c1	CC(=O)c1cccc([N-]C(N)=S)c1,CC(=O)c1cccc(NC([NH-])=S)c1	mol13896	CC(=O)c1cccc(NC(N)=S)c1
12.1000003814697	QSARToolbox	0	-1	CC(=O)c1cccc(NC(N)=S)c1	CC(=O)c1cccc([N-]C(N)=S)c1,CC(=O)c1cccc(NC([NH-])=S)c1	mol13896	CC(=O)c1cccc(NC(N)=S)c1